CID 115445

Brn 0529195

Structural Information

Molecular Formula
C15H29N3O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCN(CC)CC
InChI
InChI=1S/C15H29N3O/c1-4-15(19)18-13-7-8-14(18)12-17(11-13)10-9-16(5-2)6-3/h13-14H,4-12H2,1-3H3
InChIKey
ZUCYWASRHXWLPN-UHFFFAOYSA-N
Compound name
1-[3-[2-(diethylamino)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.23105 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.23833 169.8
[M+Na]+ 290.22027 173.3
[M-H]- 266.22377 169.8
[M+NH4]+ 285.26487 187.5
[M+K]+ 306.19421 171.6
[M+H-H2O]+ 250.22831 161.9
[M+HCOO]- 312.22925 185.2
[M+CH3COO]- 326.24490 206.7
[M+Na-2H]- 288.20572 169.4
[M]+ 267.23050 169.8
[M]- 267.23160 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.